UCSF

ZINC05140188

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 14 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) -2.37 8.13 -35.56 0 2 1 13 193.314 5
Lo Low (pH 4.5-6) -2.37 8.41 -83.71 1 2 2 14 194.322 5

Activity (Go SEA)

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