UCSF

ZINC62640735

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 36 No

Popular Name: 5-hydroxy-5-[4-(5-methyl-2-phenyl-pyrazol-3-yl)iminotetrazolo[1,5-a]quinoxalin-5-yl]hexahydropyrimid 5-hydroxy-5-[4-(5-methyl-2-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.28 1.93 -25.19 3 14 0 179 484.436 4 ↓
Ref Reference (pH 7) -2.72 1.55 -25.26 3 14 0 179 484.436 4 ↓
Hi High (pH 8-9.5) 0.20 0.99 -42.17 2 14 -1 180 483.428 3 ↓
Mid Mid (pH 6-8) -2.72 1.59 -24.89 3 14 0 179 484.436 4 ↓
Mid Mid (pH 6-8) -3.28 1.98 -49.24 4 14 1 180 485.444 4 ↓
Mid Mid (pH 6-8) -2.72 1.62 -46.81 4 14 1 180 485.444 4 ↓
Mid Mid (pH 6-8) -2.98 -0.19 -44.75 2 14 -1 180 483.428 3 ↓
Lo Low (pH 4.5-6) -2.91 4.47 -37.97 4 14 1 172 485.444 4 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.