UCSF

ZINC62602470

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 20 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) 0.76 3.61 -52.87 5 7 1 114 295.392 8
Hi High (pH 8-9.5) 0.76 2.54 -16.86 4 7 0 110 294.384 8
Hi High (pH 8-9.5) 0.76 2.01 -42.27 3 7 -1 108 293.376 8
Mid Mid (pH 6-8) 0.76 3.17 -59.73 4 7 0 112 294.384 8

Activity (Go SEA)

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

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