UCSF

ZINC42767522

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 Yes

Popular Name: 4,6-dimethyl-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carboxamidine 4,6-dimethyl-2-[(4S)-4-methyl-6,…

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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) 2.12 6.39 -37.52 4 4 1 68 301.439 2 ↓
Hi High (pH 8-9.5) 2.12 6.77 -6.14 3 4 0 66 300.431 2 ↓
Mid Mid (pH 6-8) 2.12 7.19 -31.74 4 4 1 67 301.439 2 ↓
Lo Low (pH 4.5-6) 2.12 6.8 -92.99 5 4 2 69 302.447 2 ↓

Activity (Go SEA)

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