UCSF

ZINC19775784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 18 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) 0.94 1.61 -37.71 5 5 1 80 272.756 6
Hi High (pH 8-9.5) 0.94 -0.65 -12.85 4 5 0 79 271.748 6

Activity (Go SEA)

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