UCSF

ZINC40161193

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 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) 3.65 8.27 -34.52 3 3 1 46 362.291 6
Hi High (pH 8-9.5) 3.65 7.35 -5.89 2 3 0 41 361.283 6

Activity (Go SEA)

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