UCSF

ZINC43443886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 0.96 1.2 -44.02 4 4 1 66 226.296 7
Hi High (pH 8-9.5) 0.96 0.78 -7.12 3 4 0 65 225.288 7

Activity (Go SEA)

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