UCSF

ZINC19821408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) -0.66 1.82 -47.73 3 4 1 49 237.323 4
Hi High (pH 8-9.5) -0.66 1.49 -5.22 2 4 0 48 236.315 4

Activity (Go SEA)

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