UCSF

ZINC39749684

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 15 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) 1.59 6.81 -97.52 0 4 -2 80 212.245 2
Lo Low (pH 4.5-6) 1.59 4.89 -44.36 1 4 -1 77 213.253 2

Activity (Go SEA)

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