UCSF

ZINC44699633

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 23 Yes

Other Names:

8-Hydroxy Ondansetron

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) 2.10 8.38 -37.5 2 5 1 61 310.377 2
Mid Mid (pH 6-8) 2.10 7.9 -21.28 1 5 0 60 309.369 2

Activity (Go SEA)

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