UCSF

ZINC06797212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 22 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) 1.28 4.82 -20.78 1 7 0 78 300.318 5
Lo Low (pH 4.5-6) 1.28 5.01 -51.38 2 7 1 79 301.326 5

Activity (Go SEA)

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