UCSF

ZINC63240964

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 29 No

Popular Name: 6-amino-2-[2-[(2R)-1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-2,3-dihydropyrrol-4-yl]-2-oxo-ethyl]su 6-amino-2-[2-[(2R)-1-[4-(difluor…

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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) 2.45 7.01 -19.15 2 7 0 97 422.457 7 ↓
Hi High (pH 8-9.5) 2.45 7.07 -37.97 1 7 -1 95 421.449 7 ↓
Lo Low (pH 4.5-6) 2.45 7.43 -47.12 3 7 1 99 423.465 7 ↓

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

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