UCSF

ZINC59201326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 23 Yes

Other Names:

MFCD17215668

MFCD26131254

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) 0.84 2.93 -10.56 3 5 0 90 315.417 2
Mid Mid (pH 6-8) 0.84 3.25 -57.16 4 5 1 92 316.425 2

Activity (Go SEA)

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

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