UCSF

ZINC42766029

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 No

Popular Name: N-(3-amino-3-thioxo-propyl)-N-methyl-3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propa N-(3-amino-3-thioxo-propyl)-N-me…

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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) 0.98 7.36 -49.83 3 4 1 51 326.511 6 ↓
Hi High (pH 8-9.5) 0.98 5.31 -15.21 2 4 0 50 325.503 6 ↓

Activity (Go SEA)

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