UCSF

ZINC62820615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 19 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) 2.79 4.75 -11.05 2 4 0 58 254.289 3
Mid Mid (pH 6-8) 2.79 4.55 -24.74 3 4 1 59 255.297 3

Activity (Go SEA)

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

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