UCSF

ZINC69184376

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 21 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) 2.39 4.49 -10.01 2 6 0 84 311.407 9
Mid Mid (pH 6-8) 2.85 2.42 -46.13 1 6 -1 87 310.399 9
Mid Mid (pH 6-8) 2.39 5.57 -46.36 3 6 1 89 312.415 9

Activity (Go SEA)

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

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