UCSF

ZINC12469783

Substance Information

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

Other Names:

MFCD02952356

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) 5.54 10.86 -7.44 0 4 0 44 352.459 4
Ref Reference (pH 7) 5.54 10.54 -7.2 0 4 0 44 352.459 4

Activity (Go SEA)

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