UCSF

ZINC59817243

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 19 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) 4.78 11.34 -6.18 0 1 0 13 245.325 2
Lo Low (pH 4.5-6) 4.78 10.51 -29.65 1 1 1 14 246.333 2

Activity (Go SEA)

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