UCSF

ZINC33931442

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 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) -1.00 7.67 -64.98 3 9 -1 154 423.401 6
Hi High (pH 8-9.5) -1.00 8.42 -105.35 2 9 -2 157 422.393 6
Hi High (pH 8-9.5) -1.00 6.71 -128.34 2 9 -2 150 422.393 6
Mid Mid (pH 6-8) -1.00 5.67 -29.66 4 9 0 152 424.409 6

Activity (Go SEA)

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