UCSF

ZINC36226378

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 1.06 4.72 -81.48 5 4 2 57 210.325 5
Mid Mid (pH 6-8) 1.06 4.36 -38.11 4 4 1 55 209.317 5

Activity (Go SEA)

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