UCSF

ZINC34467096

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 2.55 3.47 -42.66 3 3 1 46 210.297 3
Hi High (pH 8-9.5) 2.55 3.26 -4.41 2 3 0 44 209.289 3

Activity (Go SEA)

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