UCSF

ZINC33725248

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 4.89 13.83 -12.24 0 5 0 49 434.971 4
Mid Mid (pH 6-8) 4.89 14.14 -37.19 1 5 1 51 435.979 4

Activity (Go SEA)

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