UCSF

ZINC23066077

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 21 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) -0.65 3.28 -44.34 5 5 1 83 292.403 6
Hi High (pH 8-9.5) -0.65 1.12 -10.69 4 5 0 82 291.395 6
Mid Mid (pH 6-8) -0.65 3.61 -139.24 6 5 2 84 293.411 6
Mid Mid (pH 6-8) -0.65 1.45 -51.5 5 5 1 83 292.403 6

Activity (Go SEA)

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