UCSF

ZINC19834303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 1.73 2.84 -33 4 3 1 55 226.731 5
Mid Mid (pH 6-8) -1.18 5.49 -28.09 5 3 1 56 226.731 5

Activity (Go SEA)

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