UCSF

ZINC33934131

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 29 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) -0.18 8.12 -69.45 3 9 -1 154 468.28 7
Hi High (pH 8-9.5) -0.18 7.33 -101.72 2 9 -2 157 467.272 7
Hi High (pH 8-9.5) -0.18 6.41 -119.58 2 9 -2 150 467.272 7
Mid Mid (pH 6-8) -0.18 6.12 -33.82 4 9 0 152 469.288 7

Activity (Go SEA)

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