UCSF

ZINC04155678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 8.38 0.95 -13.4 1 5 0 55 518.455 7
Mid Mid (pH 6-8) 8.38 1.13 -27.02 2 5 1 56 519.463 7

Activity (Go SEA)

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