UCSF

ZINC53940715

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (1S,2R)-2-methyl-3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-phenyl-propan-1-amine (1S,2R)-2-methyl-3-[(4S)-4-methy…

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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) 2.03 7.62 -48.81 3 2 1 31 301.479 4 ↓
Hi High (pH 8-9.5) 2.03 7.34 -3.29 2 2 0 29 300.471 4 ↓
Lo Low (pH 4.5-6) 2.03 9.45 -125.02 4 2 2 32 302.487 4 ↓
Lo Low (pH 4.5-6) 2.03 9.17 -34.65 3 2 1 30 301.479 4 ↓

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Rings

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

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