UCSF

ZINC06870214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 21 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) 2.56 7.38 -58.97 2 4 1 48 352.252 7
Lo Low (pH 4.5-6) 2.56 7.66 -117.75 3 4 2 49 353.26 7

Activity (Go SEA)

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