UCSF

ZINC37226367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 No

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) 1.53 4.03 -49.3 3 6 1 92 241.267 6
Mid Mid (pH 6-8) 1.53 3.69 -8.35 2 6 0 90 240.259 6

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Rings

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