UCSF

ZINC66349284

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 31 Yes

Other Names:

MFCD06202350

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) 1.92 13.98 -40.55 3 5 0 94 415.489 9
Hi High (pH 8-9.5) 1.92 13.65 -49.79 2 5 -1 92 414.481 9

Activity (Go SEA)

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

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