UCSF

ZINC72190634

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 11 Yes

Other Names:

MFCD18256424

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) 0.70 0.48 -46.67 2 3 1 39 151.189 1
Hi High (pH 8-9.5) 0.70 -1.01 -5.79 1 3 0 34 150.181 1

Activity (Go SEA)

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

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