UCSF

ZINC42608016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 2.31 6.88 -105.32 3 2 2 21 212.381 2
Hi High (pH 8-9.5) 2.31 5.06 -36.87 2 2 1 20 211.373 2
Hi High (pH 8-9.5) 2.31 3.75 -0.64 1 2 0 15 210.365 2
Mid Mid (pH 6-8) 2.31 5.54 -29.45 2 2 1 16 211.373 2

Activity (Go SEA)

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