UCSF

ZINC49422332

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 16 Yes

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) 0.69 0.73 -50.41 1 5 -1 77 241.292 4
Mid Mid (pH 6-8) 0.69 0.73 -14.3 2 5 0 75 242.3 4

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Rings

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