UCSF

ZINC38907176

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 31 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) 3.65 11 -39.09 2 6 1 59 417.533 7
Hi High (pH 8-9.5) 3.65 10.7 -15.97 1 6 0 58 416.525 7
Mid Mid (pH 6-8) 3.65 13.23 -102.97 3 6 2 60 418.541 7
Mid Mid (pH 6-8) 3.65 12.84 -48.81 2 6 1 59 417.533 7

Activity (Go SEA)

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