UCSF

ZINC58308846

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 Yes

Popular Name: (1S)-1-(2-methoxyphenyl)-2-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethano (1S)-1-(2-methoxyphenyl)-2-[[(6R…

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Download: MOL2 SDF SMILES Flexibase

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) 0.86 3.02 -53.26 4 6 1 76 303.386 6 ↓
Hi High (pH 8-9.5) 0.86 1.66 -10.21 3 6 0 71 302.378 6 ↓
Mid Mid (pH 6-8) 0.86 3.18 -97.14 5 6 2 77 304.394 6 ↓

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

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