UCSF

ZINC19230917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 18 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) 0.72 3.79 -37.63 4 5 1 72 251.354 8
Lo Low (pH 4.5-6) 0.72 4.14 -86.46 5 5 2 74 252.362 8

Activity (Go SEA)

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