UCSF

ZINC59490906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 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) 0.63 4.83 -18.4 1 5 0 58 247.298 5
Lo Low (pH 4.5-6) 0.63 5.32 -44.64 2 5 1 59 248.306 5

Activity (Go SEA)

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