UCSF

ZINC65164115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 20 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) 0.70 5.18 -43.17 2 6 1 69 272.284 1
Mid Mid (pH 6-8) 0.70 4.69 -13.3 1 6 0 67 271.276 1
Mid Mid (pH 6-8) 0.70 5.16 -43.2 2 6 1 69 272.284 1

Activity (Go SEA)

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

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