UCSF

ZINC04157771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 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) 5.28 -0.22 -14.04 1 4 0 42 354.885 3
Mid Mid (pH 6-8) 5.28 -0.01 -25.99 2 4 1 43 355.893 3

Activity (Go SEA)

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