UCSF

ZINC09708970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 25 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) 3.25 7.52 -11.84 0 5 0 55 418.316 3
Lo Low (pH 4.5-6) 3.25 7.79 -49.94 1 5 1 56 419.324 3

Activity (Go SEA)

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