UCSF

ZINC04156136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.48 -2.08 -10.68 2 6 0 75 390.237 6
Mid Mid (pH 6-8) 3.48 -1.9 -34.54 3 6 1 77 391.245 6

Activity (Go SEA)

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