UCSF

ZINC37142254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 0.24 4.88 -43.88 2 5 1 46 270.397 4
Lo Low (pH 4.5-6) 0.24 5.89 -120.38 3 5 2 51 271.405 4
Lo Low (pH 4.5-6) 0.24 3.51 -51.54 2 5 1 49 270.397 4

Activity (Go SEA)

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