UCSF

ZINC19834264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 2.00 2.91 -34.21 4 3 1 55 289.172 5
Mid Mid (pH 6-8) -0.91 5.57 -30.67 5 3 1 56 289.172 5

Activity (Go SEA)

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