UCSF

ZINC95884279

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 16 Yes

Other Names:

MFCD00022772

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.21 2.86 -36.28 3 4 0 80 218.256 3
Hi High (pH 8-9.5) -1.21 2.63 -42.1 2 4 -1 79 217.248 3

Activity (Go SEA)

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

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