UCSF

ZINC66434533

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 25 No

Popular Name: 2-[[isopropyl-[(4-nitrophenyl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[isopropyl-[(4-nitrophenyl)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) 3.14 6.72 -58.65 1 7 0 99 358.423 6 ↓
Mid Mid (pH 6-8) 2.68 7.58 -18.32 1 7 0 95 358.423 6 ↓
Mid Mid (pH 6-8) 2.68 9.3 -66.41 2 7 1 96 359.431 6 ↓

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

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