UCSF

ZINC40009444

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 26 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) 2.20 5.65 -47.21 2 7 1 68 377.49 8
Mid Mid (pH 6-8) 2.20 5.55 -47.94 2 7 1 68 377.49 8
Mid Mid (pH 6-8) 2.20 3.37 -16.49 1 7 0 67 376.482 8
Mid Mid (pH 6-8) 2.02 4.92 -38.89 1 7 0 74 376.482 8

Activity (Go SEA)

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