UCSF

ZINC43424372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.65 4.92 -6.8 0 3 0 30 251.37 1
Lo Low (pH 4.5-6) 2.65 7.11 -35.31 1 3 1 31 252.378 1

Activity (Go SEA)

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