UCSF

ZINC65526839

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: 2,7-dimethyl-N-[(1S)-1-methyl-2-(3-thienyl)ethyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine 2,7-dimethyl-N-[(1S)-1-methyl-2-…

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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) 2.44 10.25 -95.6 3 4 2 43 318.49 4 ↓
Hi High (pH 8-9.5) 2.44 7.73 -7.77 1 4 0 41 316.474 4 ↓
Mid Mid (pH 6-8) 2.44 9.84 -45.7 2 4 1 42 317.482 4 ↓

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

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