UCSF

ZINC20510567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 1.53 5.53 -44.39 3 3 1 46 252.378 7
Hi High (pH 8-9.5) 1.53 5.23 -3.12 2 3 0 44 251.37 7

Activity (Go SEA)

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