UCSF

ZINC36112851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 35 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) 0.21 9.16 -52.45 2 8 1 94 470.553 3
Mid Mid (pH 6-8) 0.21 9.94 -35.61 1 8 0 97 469.545 3
Mid Mid (pH 6-8) -0.43 12.14 -74.66 3 8 2 92 471.561 4

Activity (Go SEA)

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

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