UCSF

ZINC09857892

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 18 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) -0.31 -2.13 -10.34 2 6 0 80 251.286 5
Lo Low (pH 4.5-6) -0.31 -2.49 -27.01 3 6 1 81 252.294 5

Activity (Go SEA)

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