UCSF

ZINC40448181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 18 Yes

Other Names:

MFCD09991827

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) 1.59 0.16 -46.58 0 6 -1 80 241.23 2
Lo Low (pH 4.5-6) 1.13 2.35 -9.42 1 6 0 77 242.238 2

Activity (Go SEA)

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

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