UCSF

ZINC37598119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 17 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) -1.76 4.66 -40.95 1 6 0 74 242.275 5
Hi High (pH 8-9.5) -1.76 2.68 -48.69 0 6 -1 73 241.267 5

Activity (Go SEA)

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

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