UCSF

ZINC33920072

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 28 No

Popular Name: (3aS,4S,6S,6aR)-1,3-dioxo-4-(4-phenylphenyl)-2-prop-2-ynyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-c]pyr (3aS,4S,6S,6aR)-1,3-dioxo-4-(4-p…

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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) 0.55 10.79 -48.45 2 6 0 94 374.396 4 ↓
Hi High (pH 8-9.5) 0.55 9.49 -46.07 1 6 -1 90 373.388 4 ↓
Mid Mid (pH 6-8) 0.55 9.73 -50.21 1 6 -1 90 373.388 4 ↓

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