UCSF

ZINC44994855

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 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) 0.00 1.49 -41.53 2 5 1 55 211.289 3
Mid Mid (pH 6-8) 0.00 2.74 -108.56 3 5 2 60 212.297 3
Mid Mid (pH 6-8) 0.00 0.49 -43.24 2 5 1 59 211.289 3

Activity (Go SEA)

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

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