UCSF

ZINC66073984

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 27 No

Popular Name: [[5-[(carbamothioylamino)carbamoyl]-4-(2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]th [[5-[(carbamothioylamino)carbamo…

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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) 0.06 2.41 -27.58 9 10 0 159 409.497 7 ↓
Hi High (pH 8-9.5) 0.10 2.36 -53.9 8 10 -1 160 408.489 6 ↓
Hi High (pH 8-9.5) 0.10 2.36 -62.59 8 10 -1 160 408.489 6 ↓

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

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