UCSF

ZINC30833229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

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) 4.68 7.79 -16.7 2 6 0 80 474.682 7
Hi High (pH 8-9.5) 4.68 8.53 -45.43 1 6 -1 83 473.674 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.