UCSF

ZINC65530332

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Substance Information

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

Popular Name: 4-(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)piperazine-1-carboxamide 4-(2,7-dimethyl-5,6,8,9-tetrahyd…

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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) 0.13 5.85 -107.75 4 7 2 81 306.414 1 ↓
Hi High (pH 8-9.5) 0.13 3.32 -11.04 2 7 0 79 304.398 1 ↓
Mid Mid (pH 6-8) 0.13 5.45 -51.49 3 7 1 80 305.406 1 ↓

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

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