UCSF

ZINC44649027

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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 4.31 -85.52 3 5 0 86 240.234 5
Hi High (pH 8-9.5) 0.96 2.95 -66.3 2 5 -1 81 239.226 5

Activity (Go SEA)

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