UCSF

ZINC34610222

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) -0.05 -0.83 -50.05 4 4 1 70 197.258 4
Hi High (pH 8-9.5) -0.05 -1.23 -7.39 3 4 0 68 196.25 4

Activity (Go SEA)

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