UCSF

ZINC05898685

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 1.08 4.58 -16.54 1 6 0 70 316.357 7
Lo Low (pH 4.5-6) 1.08 4.98 -48.31 2 6 1 71 317.365 7

Activity (Go SEA)

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