UCSF

ZINC03812867

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 26 No

CAS Number: 82834-16-0

Download: MOL2 SDF SMILES Flexibase

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) 2.02 9.45 -30.05 2 7 0 103 368.474 9
Mid Mid (pH 6-8) 2.02 8.16 -41.88 1 7 -1 99 367.466 9

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