UCSF

ZINC34884807

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 26 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) 3.22 11 -12.9 0 6 0 65 357.295 4
Mid Mid (pH 6-8) 3.22 11.46 -46.04 1 6 1 66 358.303 4

Activity (Go SEA)

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