UCSF

ZINC17994134

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 30 No

Other Names:

MFCD00696906

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) 4.70 11.91 -12.82 1 5 0 60 398.462 5
Ref Reference (pH 7) 4.70 11.86 -14.08 1 5 0 60 398.462 5

Activity (Go SEA)

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