UCSF

ZINC44694526

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.08 0.67 -46.17 3 6 1 74 270.305 8
Hi High (pH 8-9.5) 1.08 1.33 -39.14 2 6 0 77 269.297 8

Activity (Go SEA)

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