UCSF

ZINC09353184

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 31 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) 5.47 13.6 -41.97 2 5 1 55 432.617 7
Lo Low (pH 4.5-6) 5.47 -1.91 -74.02 3 5 2 56 433.625 7

Activity (Go SEA)

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