UCSF

ZINC12467981

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 25 No

Other Names:

MFCD02955204

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) 5.66 10.68 -7.7 0 4 0 44 352.459 4
Ref Reference (pH 7) 5.66 10.25 -7.72 0 4 0 44 352.459 4

Activity (Go SEA)

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