UCSF

ZINC39243930

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.55 1.16 -16.95 1 7 0 94 209.161 0
Hi High (pH 8-9.5) -1.09 -0.71 -35.7 0 7 -1 97 208.153 0

Activity (Go SEA)

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