UCSF

ZINC19832903

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 Yes

Popular Name: 4-(4-benzylpiperazin-1-ylmethyl)benzoic acid 4-(4-benzylpiperazin-1-ylmethyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 359801-19-7 , [359801-19-7]

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) 2.94 9 -79.51 1 4 0 48 310.397 5 ↓
Mid Mid (pH 6-8) 2.94 8.94 -77.05 1 4 0 48 310.397 5 ↓
Mid Mid (pH 6-8) 2.94 6.62 -52.13 0 4 -1 47 309.389 5 ↓

Activity (Go SEA)

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