UCSF

ZINC04158228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 5.88 1.91 -7.41 1 3 0 29 401.819 5
Mid Mid (pH 6-8) 5.88 2.08 -34.05 2 3 1 30 402.827 5

Activity (Go SEA)

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