UCSF

ZINC69840651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 18 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) -1.01 -0.34 -36.79 1 6 1 56 255.342 5
Mid Mid (pH 6-8) -1.01 -0.25 -39.02 1 6 1 56 255.342 5
Mid Mid (pH 6-8) -1.01 -2.51 -9.24 0 6 0 55 254.334 5

Activity (Go SEA)

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

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