UCSF

ZINC05796333

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 19 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) 2.71 7.24 -11.58 2 5 0 70 324.178 5
Lo Low (pH 4.5-6) 2.71 7.35 -34.19 3 5 1 71 325.186 5

Activity (Go SEA)

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