UCSF

ZINC10512140

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 31 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) 1.92 -5.43 -52.28 2 10 -1 143 449.461 9
Hi High (pH 8-9.5) 1.92 -4.98 -121.96 1 10 -2 145 448.453 9

Activity (Go SEA)

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

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