UCSF

ZINC05705812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 26 No

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) 0.30 1.58 -19.09 2 7 0 100 374.418 8
Mid Mid (pH 6-8) -0.28 2.24 -27.39 1 7 0 97 374.418 8
Lo Low (pH 4.5-6) 0.75 1.58 -69.85 3 7 1 101 375.426 7
Lo Low (pH 4.5-6) -0.28 2.53 -59.44 2 7 1 98 375.426 8

Activity (Go SEA)

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