UCSF

ZINC69739078

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

Popular Name: (1R)-2-[(2S)-2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-phenyl-ethanol (1R)-2-[(2S)-2-methyl-4-(7H-pyrr…

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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) 1.81 6.82 -9.82 2 6 0 68 337.427 4 ↓
Mid Mid (pH 6-8) 1.81 8.95 -41.9 3 6 1 69 338.435 4 ↓

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

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