UCSF

ZINC49442093

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 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) 0.16 7.89 -51.24 1 5 1 61 273.36 3
Mid Mid (pH 6-8) 0.16 6.25 -16.12 0 5 0 60 272.352 3

Activity (Go SEA)

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