UCSF

ZINC05163176

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 17 No

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) 2.76 4.75 -6.24 3 4 0 68 236.315 7
Lo Low (pH 4.5-6) 2.76 4.58 -31.43 4 4 1 69 237.323 7
Lo Low (pH 4.5-6) 2.76 4.49 -33.94 4 4 1 69 237.323 7

Activity (Go SEA)

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