UCSF

ZINC13683768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(1H-indole-3-carbonyl)-5-(2-thienyl)-5H-pyrrol-2-one (5R)-1-(2-dimethylaminoethyl)-3-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.46 8.77 -86.07 2 6 0 81 395.484 6 ↓
Hi High (pH 8-9.5) 2.46 6.24 -68.46 1 6 -1 79 394.476 6 ↓
Mid Mid (pH 6-8) 2.90 7.67 -64.82 3 6 1 78 396.492 5 ↓
Mid Mid (pH 6-8) 1.87 8.69 -70.78 2 6 1 75 396.492 6 ↓

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

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