UCSF

ZINC31910139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 2.96 8.39 -40.64 3 4 1 48 273.404 3
Hi High (pH 8-9.5) 2.96 6.11 -9.69 2 4 0 47 272.396 3
Mid Mid (pH 6-8) 2.96 8.83 -87.06 4 4 2 49 274.412 3

Activity (Go SEA)

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