UCSF

ZINC33923262

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 28 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) -0.35 9.17 -68.73 2 8 -1 134 452.281 5
Hi High (pH 8-9.5) -0.35 8.27 -123.2 1 8 -2 130 451.273 5
Mid Mid (pH 6-8) -0.35 7.17 -35.24 3 8 0 131 453.289 5

Activity (Go SEA)

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