UCSF

ZINC33925788

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 33 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) -1.52 4.39 -52.45 4 12 0 190 457.395 6
Hi High (pH 8-9.5) -1.52 2.12 -48.88 3 12 -1 185 456.387 6
Mid Mid (pH 6-8) -1.52 3.41 -55.48 3 12 -1 185 456.387 6

Activity (Go SEA)

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