UCSF

ZINC37394043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 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) 1.92 5.92 -38.39 2 3 1 43 188.291 6
Mid Mid (pH 6-8) 1.92 4.73 -3.76 1 3 0 38 187.283 6

Activity (Go SEA)

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