UCSF

ZINC20135203

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 30 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-3-h…

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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) 2.99 11.06 -67.7 1 8 0 111 429.498 9 ↓
Hi High (pH 8-9.5) 2.99 8.84 -52.34 0 8 -1 109 428.49 9 ↓
Lo Low (pH 4.5-6) 2.99 10.23 -53.89 2 8 1 108 430.506 9 ↓

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