UCSF

ZINC33716260

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 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) 4.94 11.02 -56.43 2 5 1 50 440.058 6
Mid Mid (pH 6-8) 4.94 8.68 -10.99 1 5 0 48 439.05 6

Activity (Go SEA)

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