UCSF

ZINC34514770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 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) -0.54 0.57 -109.36 5 3 2 53 172.272 0
Mid Mid (pH 6-8) -0.54 -0.83 -44.86 4 3 1 49 171.264 0
Mid Mid (pH 6-8) -0.54 0.36 -35.57 4 3 1 52 171.264 0

Activity (Go SEA)

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