UCSF

ZINC19672618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 0.53 1.12 -56.47 5 5 1 86 236.295 3
Hi High (pH 8-9.5) 0.53 0.78 -15.06 4 5 0 84 235.287 3

Activity (Go SEA)

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