UCSF

ZINC40805393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 16 Yes

Other Names:

MFCD14604287

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) -0.37 0.19 -48.72 4 5 1 75 223.252 3
Hi High (pH 8-9.5) -0.37 -0.22 -10.42 3 5 0 74 222.244 3

Activity (Go SEA)

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

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