UCSF

ZINC00000030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 22 Yes

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) 2.94 0.89 -37.97 3 3 1 47 297.422 6
Hi High (pH 8-9.5) 0.89 2.55 -38.03 3 1 1 28 110.18 0

Vendor Notes

Note Type Comments Provided By
Therapy antispasmodic, antiemetic SMDC Pharmakon

Activity (Go SEA)

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