UCSF

ZINC42913389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.57 6.08 -46.65 3 3 1 55 246.378 6
Lo Low (pH 4.5-6) 1.57 7.56 -129.4 4 3 2 56 247.386 6

Activity (Go SEA)

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