UCSF

ZINC67740206

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 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) -0.30 5.67 -49.47 2 8 1 85 369.449 5
Hi High (pH 8-9.5) -0.30 3.29 -15.66 1 8 0 83 368.441 5
Lo Low (pH 4.5-6) -0.30 6.06 -84.6 3 8 2 86 370.457 5

Activity (Go SEA)

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

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