UCSF

ZINC03978047

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 19 Yes

CAS Number: 58-61-7

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) -0.85 -5.6 -13.58 5 9 0 140 267.245 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.40e+01 g/l DrugBank-experimental
Purity 99% APIChem
Therapy antiarrhythmic, cardiac depressant SMDC MicroSource
Notes Endogenous neurotransmitter Apollo Scientific Bioactives

Activity (Go SEA)

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