UCSF

ZINC19840686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.83 4.57 -10.62 0 4 0 45 246.31 5
Mid Mid (pH 6-8) 1.83 6.98 -42.33 1 4 1 47 247.318 5

Activity (Go SEA)

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