UCSF

ZINC05782059

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 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) 2.38 7.46 -36.69 1 4 1 34 263.361 3
Hi High (pH 8-9.5) 2.38 5.72 -5.95 0 4 0 33 262.353 3

Activity (Go SEA)

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