UCSF

ZINC17130788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 27 Yes

Other Names:

MFCD01840014

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) 4.42 6.41 -31.57 3 5 1 79 377.342 5
Ref Reference (pH 7) 4.42 5.58 -34.27 3 5 1 79 377.342 5

Activity (Go SEA)

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

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