UCSF

ZINC12412091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 29 No

Other Names:

MFCD02147345

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) 3.67 9.43 -13.18 1 6 0 71 415.49 6
Ref Reference (pH 7) 3.67 8.89 -12.88 1 6 0 71 415.49 6

Activity (Go SEA)

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