UCSF

ZINC33710328

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 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) 0.36 5.97 -43.31 0 5 -1 84 247.274 4
Lo Low (pH 4.5-6) 0.36 4.85 -12.75 1 5 0 81 248.282 4

Activity (Go SEA)

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