UCSF

ZINC69888408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 26 Yes

Popular Name: (3R)-N-[3-(cyclopropylcarbamoyl)-2-thienyl]-3-methyl-1-oxo-isochromane-3-carboxamide (3R)-N-[3-(cyclopropylcarbamoyl)…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.27 7.21 -14.74 2 6 0 85 370.43 4 ↓
Hi High (pH 8-9.5) 2.46 5.95 -51.51 1 6 -1 91 369.422 4 ↓

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

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