UCSF

ZINC65499734

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 Yes

Popular Name: 2,7-dimethyl-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine 2,7-dimethyl-N-[(1R)-1-(1-methyl…

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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) 1.05 8.18 -96.47 3 6 2 61 302.426 3 ↓
Hi High (pH 8-9.5) 1.05 5.65 -9.23 1 6 0 59 300.41 3 ↓
Mid Mid (pH 6-8) 1.05 7.77 -45.13 2 6 1 60 301.418 3 ↓

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

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