UCSF

ZINC36875199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -0.95 -1.62 -44.82 5 4 1 74 186.279 3
Mid Mid (pH 6-8) -0.95 0.29 -122.06 6 4 2 75 187.287 3
Mid Mid (pH 6-8) -0.95 -0.11 -33.29 5 4 1 74 186.279 3

Activity (Go SEA)

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