UCSF

ZINC62979813

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 Yes

Popular Name: (3S)-1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(4-chlorothieno[2,3-d]py…

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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) 2.91 6.27 -36.8 1 4 1 33 325.889 5 ↓
Hi High (pH 8-9.5) 2.91 4.09 -5.85 0 4 0 32 324.881 5 ↓
Mid Mid (pH 6-8) 2.91 6.57 -33.26 1 4 1 33 325.889 5 ↓
Mid Mid (pH 6-8) 2.91 8.68 -104.21 2 4 2 35 326.897 5 ↓

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Rings

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

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