UCSF

ZINC53492471

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 19 No

Popular Name: (2R)-N2-[(3R)-1,1-dioxothiolan-3-yl]-N2-methyl-N1-(2-thienylmethyl)propane-1,2-diamine (2R)-N2-[(3R)-1,1-dioxothiolan-3…

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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) 1.27 2.92 -52.81 2 4 1 54 303.473 6 ↓
Mid Mid (pH 6-8) 1.27 2.14 -11.05 1 4 0 49 302.465 6 ↓
Lo Low (pH 4.5-6) 1.27 4.65 -51.93 2 4 1 51 303.473 6 ↓
Lo Low (pH 4.5-6) 1.27 4.69 -137.74 3 4 2 55 304.481 6 ↓

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

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