UCSF

ZINC53129966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 0.67 4.71 -49.58 0 6 -1 92 246.246 6
Lo Low (pH 4.5-6) 0.67 5.17 -61.46 1 6 0 93 247.254 6

Activity (Go SEA)

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