UCSF

ZINC54931768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 Yes

Other Names:

MFCD26793058

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) 2.73 4.55 -48.34 2 2 1 29 223.346 2
Hi High (pH 8-9.5) 2.73 2.86 -7.72 1 2 0 25 222.338 2

Activity (Go SEA)

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

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