UCSF

ZINC43805393

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 Yes

Popular Name: (3R,4R)-N-methyl-3-(4-propylpiperazin-1-yl)chroman-4-amine (3R,4R)-N-methyl-3-(4-propylpipe…

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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) 2.34 6.54 -100.56 3 4 2 34 291.439 4 ↓
Hi High (pH 8-9.5) 2.34 4.27 -37.19 2 4 1 32 290.431 4 ↓
Hi High (pH 8-9.5) 2.34 2.92 -2.8 1 4 0 28 289.423 4 ↓
Mid Mid (pH 6-8) 2.34 5.17 -32.64 2 4 1 29 290.431 4 ↓
Mid Mid (pH 6-8) 2.34 6.21 -120.28 3 4 2 34 291.439 4 ↓

Activity (Go SEA)

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