UCSF

ZINC34925808

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 23 Yes

Popular Name: (2R)-1-(N-phenylanilino)-3-piperazin-1-yl-propan-2-ol (2R)-1-(N-phenylanilino)-3-piper…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.42 6.25 -37.8 3 4 1 40 312.437 6 ↓
Hi High (pH 8-9.5) 2.42 3.92 -5.41 2 4 0 39 311.429 6 ↓
Mid Mid (pH 6-8) 2.42 5.26 -40.72 3 4 1 43 312.437 6 ↓
Lo Low (pH 4.5-6) 2.42 7.6 -119.98 4 4 2 45 313.445 6 ↓

Activity (Go SEA)

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