UCSF

ZINC39473775

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 10 Yes

Other Names:

MFCD20526415

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) 0.73 2.88 -46.78 2 3 -1 66 156.186 1
Lo Low (pH 4.5-6) 0.73 2.74 -40.28 3 3 0 68 157.194 1

Activity (Go SEA)

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

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