UCSF

ZINC31813550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 28 Yes

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) 3.44 9.74 -28.85 1 7 0 98 397.456 4
Hi High (pH 8-9.5) 3.63 8.68 -56.61 0 7 -1 105 396.448 4

Activity (Go SEA)

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

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