UCSF

ZINC95743652

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 13 Yes

Other Names:

MFCD01073114

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) -0.71 -1.07 -58.1 0 4 -1 57 177.183 2
Mid Mid (pH 6-8) -0.71 -1.61 -10.24 1 4 0 54 178.191 2

Activity (Go SEA)

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

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