UCSF

ZINC34679510

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 17 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) -0.77 -0.46 -68.51 4 6 1 97 262.355 3
Hi High (pH 8-9.5) -0.77 -1.8 -20.41 3 6 0 93 261.347 3

Activity (Go SEA)

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