UCSF

ZINC04155533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 5.67 0.95 -12.13 1 6 0 64 486.41 7
Mid Mid (pH 6-8) 5.67 1.12 -32.79 2 6 1 66 487.418 7

Activity (Go SEA)

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