UCSF

ZINC09359782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 33 No

Popular Name: 4-(4-butoxybenzoyl)-3-hydroxy-5-(3-pyridinyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxybenzoyl)-3-hydroxy-5-…

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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) 2.80 9.71 -64.01 0 7 -1 95 442.495 9 ↓
Mid Mid (pH 6-8) 3.24 9.38 -17.94 1 7 0 93 443.503 8 ↓
Lo Low (pH 4.5-6) 3.24 9.66 -43.37 2 7 1 94 444.511 8 ↓
Lo Low (pH 4.5-6) 3.24 9.66 -60.5 2 7 1 94 444.511 8 ↓
Lo Low (pH 4.5-6) 3.24 9.94 -101.46 3 7 2 95 445.519 8 ↓

Activity (Go SEA)

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