UCSF

ZINC19938364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 36 Yes

Other Names:

MFCD03508420

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) 5.55 10.64 -37.92 1 7 1 69 527.736 7
Mid Mid (pH 6-8) 5.55 12.98 -118.51 2 7 2 70 528.744 7

Activity (Go SEA)

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