UCSF

ZINC67740508

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 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) 0.18 4.42 -91.43 3 9 0 134 385.471 6
Hi High (pH 8-9.5) 0.18 2.87 -131.09 1 9 -2 131 383.455 6
Hi High (pH 8-9.5) 0.18 3.06 -63.09 2 9 -1 129 384.463 6
Lo Low (pH 4.5-6) 0.18 4.92 -120.19 4 9 1 135 386.479 6

Activity (Go SEA)

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

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