UCSF

ZINC43620024

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 20 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) 0.83 1.62 -46.46 3 5 1 58 298.432 7
Lo Low (pH 4.5-6) 0.83 3.95 -91.75 4 5 2 59 299.44 7

Activity (Go SEA)

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