UCSF

ZINC69948408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) -1.23 -1.39 -15.88 2 7 0 95 244.276 2
Hi High (pH 8-9.5) -1.23 -1.88 -39.37 1 7 -1 93 243.268 2

Activity (Go SEA)

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

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