UCSF

ZINC31483931

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 17 No

Popular Name: 2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, (1S-(1-alpha(Z),7a-alpha))-; 7-Angeloylheliotridine; 7-Angelylheliotridine; LS-47194; O-7-Angelylheliotridine; Rivularine 2-Butenoic acid, 2-methyl-, 2,3,…

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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) 1.44 4.8 -37.43 2 4 1 51 238.307 4 ↓
Mid Mid (pH 6-8) 1.44 2.1 -6.76 1 4 0 50 237.299 4 ↓

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