UCSF

ZINC37809259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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 1.67 -41.2 3 4 1 57 187.263 6
Hi High (pH 8-9.5) -0.66 0.3 -10.81 2 4 0 53 186.255 6

Activity (Go SEA)

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