UCSF

ZINC58344663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 31 No

Popular Name: 2-[(3R)-3-anilinopyrrolidin-1-yl]-N-[3-[(Z)-pyrrolidin-2-ylideneamino]sulfonylphenyl]acetamide 2-[(3R)-3-anilinopyrrolidin-1-yl…

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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) 3.15 6.2 -58.93 4 8 1 104 442.565 7 ↓
Hi High (pH 8-9.5) 3.15 3.94 -25.07 3 8 0 103 441.557 7 ↓
Hi High (pH 8-9.5) 3.15 3.83 -24.31 3 8 0 103 441.557 7 ↓

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

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