UCSF

ZINC33928501

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 37 No

Popular Name: (3aS,4R,6S,6aR)-2-[2-(benzylamino)ethyl]-1,3-dioxo-4-[4-[(E)-styryl]phenyl]-4,5,6,6a-tetrahydro-3aH- (3aS,4R,6S,6aR)-2-[2-(benzylamin…

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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) 2.33 14.68 -81 4 7 1 111 496.587 9 ↓
Hi High (pH 8-9.5) 2.33 13.37 -46.42 3 7 0 106 495.579 9 ↓
Hi High (pH 8-9.5) 2.33 12.01 -55.6 2 7 -1 102 494.571 9 ↓
Mid Mid (pH 6-8) 2.33 13.32 -50.97 3 7 0 106 495.579 9 ↓
Mid Mid (pH 6-8) 2.33 13.37 -66.41 3 7 0 106 495.579 9 ↓

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