UCSF

ZINC65525591

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 Yes

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

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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) 0.48 6.96 -106.9 3 7 2 74 303.414 4 ↓
Hi High (pH 8-9.5) 0.48 4.43 -15.98 1 7 0 72 301.398 4 ↓
Mid Mid (pH 6-8) 0.48 6.55 -56.56 2 7 1 73 302.406 4 ↓

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

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