UCSF

ZINC33715312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 4.33 8.23 -47.25 2 7 1 76 458.995 6
Mid Mid (pH 6-8) 4.33 5.87 -9.42 1 7 0 74 457.987 6

Activity (Go SEA)

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