UCSF

ZINC43424325

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) -0.50 1.19 -47.36 3 5 1 60 256.37 5
Lo Low (pH 4.5-6) -0.50 3.37 -91.46 4 5 2 62 257.378 5

Activity (Go SEA)

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