UCSF

ZINC15042837

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 15 No

Other Names:

MFCD07778488

OR-1875

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) 1.89 6.38 -9.3 0 3 0 33 202.257 3
Mid Mid (pH 6-8) 2.32 4.9 -46.6 0 3 -1 41 201.249 3

Activity (Go SEA)

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

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