UCSF

ZINC04157361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 5.59 2.39 -8.4 1 3 0 29 373.422 4
Mid Mid (pH 6-8) 5.59 2.57 -28.51 2 3 1 30 374.43 4

Activity (Go SEA)

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