UCSF

ZINC13798693

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 40 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) 8.60 19.28 -18.71 2 4 0 57 514.632 6
Mid Mid (pH 6-8) 8.60 19.68 -31.78 3 4 1 59 515.64 6
Mid Mid (pH 6-8) 8.60 20.08 -87.66 4 4 2 60 516.648 6

Activity (Go SEA)

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

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