UCSF

ZINC69796394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 1.69 4.9 -102.3 4 3 2 45 275.19 2
Mid Mid (pH 6-8) 1.69 4.52 -33.65 3 3 1 44 274.182 2
Mid Mid (pH 6-8) 1.69 2.58 -45.86 3 3 1 44 274.182 2

Activity (Go SEA)

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

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