UCSF

ZINC37097202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.48 7.61 -37.53 3 4 1 49 291.415 6
Mid Mid (pH 6-8) 0.48 6.89 -126.2 4 4 2 51 292.423 6

Activity (Go SEA)

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