UCSF

ZINC69697317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 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) -0.09 1.18 -44.38 2 6 1 51 313.466 5
Mid Mid (pH 6-8) -0.09 1.2 -36.89 2 6 1 51 313.466 5
Mid Mid (pH 6-8) -0.09 -1.04 -8.72 1 6 0 50 312.458 5
Mid Mid (pH 6-8) -0.09 3.4 -80.97 3 6 2 53 314.474 5

Activity (Go SEA)

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

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