UCSF

ZINC33750214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 1.65 6.25 -13.87 1 8 0 88 479.503 10
Mid Mid (pH 6-8) 1.65 8.59 -48.18 2 8 1 89 480.511 10

Activity (Go SEA)

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