UCSF

ZINC26480762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 13 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) 0.56 4 -40.87 3 3 0 68 183.251 1
Hi High (pH 8-9.5) 0.56 3.93 -46.41 2 3 -1 66 182.243 1

Activity (Go SEA)

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