UCSF

ZINC41976910

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 17 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) 1.86 5.72 -37.57 2 4 1 57 238.355 4
Hi High (pH 8-9.5) 1.71 3.89 -30.12 1 4 0 64 237.347 4

Activity (Go SEA)

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