UCSF

ZINC20332459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 17 Yes

Other Names:

MFCD11564905

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) 0.46 2.6 -55.96 1 6 -1 95 248.243 3
Hi High (pH 8-9.5) 0.53 1.71 -109.63 0 6 -2 101 247.235 3

Activity (Go SEA)

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

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