UCSF

ZINC44135263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 3.42 8.85 -49.9 0 2 -1 40 205.277 5
Lo Low (pH 4.5-6) 3.42 6.9 -6.75 1 2 0 37 206.285 5

Activity (Go SEA)

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