UCSF

ZINC19792944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 Yes

Other Names:

MFCD03785834

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) 4.81 12.89 -12.3 1 8 0 104 450.491 13
Mid Mid (pH 6-8) 4.81 13.3 -45.78 2 8 1 105 451.499 13

Activity (Go SEA)

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