UCSF

ZINC04006002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 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) 5.27 12.74 -48.73 0 3 -1 57 337.439 3
Lo Low (pH 4.5-6) 5.27 10.75 -7.89 1 3 0 54 338.447 3

Activity (Go SEA)

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