UCSF

ZINC40937910

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 38 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) 6.17 8.16 -62.8 3 10 -1 163 523.514 8
Hi High (pH 8-9.5) 6.17 8.92 -104.98 2 10 -2 165 522.506 8

Activity (Go SEA)

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