UCSF

ZINC39762224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 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) 5.02 11.41 -54.11 3 6 1 80 496.628 7
Mid Mid (pH 6-8) 5.02 11.42 -85.36 2 6 0 82 495.62 7

Activity (Go SEA)

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