UCSF

ZINC41820953

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 27 No

Popular Name: 3-methyl-4-oxo-2-sulfanyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinazoli 3-methyl-4-oxo-2-sulfanyl-N-(6,7…

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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) 0.88 6.31 -44.64 1 8 -1 101 383.457 3 ↓
Mid Mid (pH 6-8) 0.43 7.56 -17.86 2 8 0 98 384.465 3 ↓

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

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