UCSF

ZINC42471007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 1.47 3.77 -39.15 4 4 1 64 266.39 2
Mid Mid (pH 6-8) 1.47 3.35 -13.94 3 4 0 62 265.382 2

Activity (Go SEA)

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