UCSF

ZINC37598224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 20 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) 0.61 7.9 -29.14 2 5 0 74 276.336 7
Hi High (pH 8-9.5) 0.61 6.05 -48.84 1 5 -1 72 275.328 7

Activity (Go SEA)

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

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