UCSF

ZINC37816782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Popular Name: [4-(aminomethyl)phenyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone [4-(aminomethyl)phenyl]-[4-(cycl…

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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) 0.85 6.48 -104.81 4 4 2 52 275.396 4 ↓
Hi High (pH 8-9.5) 0.85 3.88 -8.21 2 4 0 50 273.38 4 ↓
Mid Mid (pH 6-8) 0.85 4.28 -56.66 3 4 1 51 274.388 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.