UCSF

ZINC04157740

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) 5.48 -0.2 -13.18 2 5 0 58 381.52 6
Mid Mid (pH 6-8) 5.48 -0.02 -29.72 3 5 1 60 382.528 6

Activity (Go SEA)

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