UCSF

ZINC44646826

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 0.27 4.13 -44.37 2 4 1 50 194.258 4
Hi High (pH 8-9.5) 0.27 2.75 -12.07 1 4 0 45 193.25 4

Activity (Go SEA)

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