UCSF

ZINC19801804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 Yes

Popular Name: 1-(3-(2-Methoxyphenoxy)-3-phenylpropyl)-4-(phenylmethyl)piperazine hydrochloride H2O (2:4:3); LS-112779; Piperazine, 1-(3-(2-methoxyphenoxy)-3-phenylpropyl)-4-(phenylmethyl)-, hydrochloride, hydrate (2:4:3) 1-(3-(2-Methoxyphenoxy)-3-phenyl…

Find On: PubMed — Wikipedia — Google

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) 4.78 13.33 -40.85 1 4 1 26 417.573 9 ↓
Mid Mid (pH 6-8) 4.78 13.4 -39.01 1 4 1 26 417.573 9 ↓
Mid Mid (pH 6-8) 4.78 11.02 -7.94 0 4 0 25 416.565 9 ↓

Activity (Go SEA)

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