UCSF

ZINC08402127

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 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) 0.97 5.25 -13.11 1 4 0 66 237.262 3
Lo Low (pH 4.5-6) 0.97 5.52 -48.66 2 4 1 67 238.27 3

Activity (Go SEA)

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