UCSF

ZINC69493394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: 4-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methyl-piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimi 4-[(3S)-4-[(1-ethylimidazol-2-yl…

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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) 1.27 9.58 -69.47 2 6 2 53 328.464 4 ↓
Hi High (pH 8-9.5) 1.27 8.75 -10.87 0 6 0 50 326.448 4 ↓
Mid Mid (pH 6-8) 1.27 9.15 -32.28 1 6 1 51 327.456 4 ↓

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

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