UCSF

ZINC67119070

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 25 No

Popular Name: 4-(diethylamino)-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide 4-(diethylamino)-N-[2-(4-isoprop…

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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) 2.14 9.63 -21.09 2 6 0 66 361.515 8 ↓
Hi High (pH 8-9.5) 2.87 9.57 -53 1 6 -1 63 360.507 8 ↓
Mid Mid (pH 6-8) 2.14 9.74 -36.18 3 6 0 67 362.523 8 ↓

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

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