UCSF

ZINC36130723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 Yes

Popular Name: 3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanami 3-[(3,4-dioxo-2-pyrrolidin-1-yl-…

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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) -1.79 4.09 -82.08 4 8 2 93 413.522 5 ↓
Hi High (pH 8-9.5) -1.79 2.51 -20.43 2 8 0 94 411.506 5 ↓
Mid Mid (pH 6-8) -1.79 1.73 -33.32 3 8 1 91 412.514 5 ↓
Mid Mid (pH 6-8) -1.79 4.88 -60.2 3 8 1 95 412.514 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.