UCSF

ZINC40776397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 22 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) 3.98 9.22 -83.9 3 3 2 31 317.864 3
Hi High (pH 8-9.5) 3.98 8.8 -44.89 2 3 1 29 316.856 3

Activity (Go SEA)

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