UCSF

ZINC38236048

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 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) -0.25 6.2 -66.52 1 5 0 65 216.281 7
Lo Low (pH 4.5-6) -0.25 4.22 -39.82 2 5 1 62 217.289 7

Activity (Go SEA)

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