UCSF

ZINC42781645

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.36 3.61 -38.84 3 2 1 31 225.278 6
Lo Low (pH 4.5-6) 2.36 5.29 -116.2 4 2 2 32 226.286 6

Activity (Go SEA)

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