UCSF

ZINC39048283

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 1.32 4.57 -26.43 3 2 1 40 149.217 0
Hi High (pH 8-9.5) 1.32 4.09 -4.95 2 2 0 39 148.209 0

Activity (Go SEA)

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