UCSF

ZINC34971116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.13 12.1 -12.39 0 6 0 51 468.638 14
Mid Mid (pH 6-8) 5.13 14.37 -59.84 1 6 1 52 469.646 14

Activity (Go SEA)

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