UCSF

ZINC41674421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.56 5.2 -39.39 2 5 1 46 274.429 11
Hi High (pH 8-9.5) 1.56 2.72 -3.01 1 5 0 45 273.421 11
Mid Mid (pH 6-8) 1.56 6.58 -95.45 3 5 2 51 275.437 11

Activity (Go SEA)

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